0 B10R0.1 CCCCCCC(=O)CCC 9409AB [0,0,0,0,0,0|1,0,0]=1 1 B10R0.1 CCCCCOC(=O)CCC 7746AB [0,0,0,0,0,0|0,0,0]=0 2 B9R0.5 C=COC(=O)CCCCC 7945AF [1,0,0,0,0,0|1,0,2]=4 3 B9R0.5 CCCCCC(O)CCC 6654AL [1,0,0,0,0,0|0,0,2]=3 4 B9R0.5 CCOC(=O)COCCCl W3753 [1,0,0,0,0,0|3,0,0]=4 5 B9R0.5 COCCOC(=O)CC#N I778 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.45 CCC#CCCCCCC 5747AF [1,0,0,0,0,0|1,0,2]=4 7 B9R0.45 CCCCCC#CCCO V0610 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.45 CCCCCCCCCS Q791 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.45 CCCCCC\C=C/CO 7426AL [1,0,0,0,0,0|2,0,1]=4 10 B9R0.45 CCCCC\C=C/CCO 7441AL [1,0,0,0,0,0|2,0,0]=3 11 B9R0.45 CCCNCCNCCC 5593AD [1,0,0,0,0,0|3,0,0]=4 12 B9R0.46 CCCCCCC(=O)NN 7657AD [1,0,0,0,0,0|3,0,0]=4 13 B9R0.46 CCCCCCC(O)CC 6139AL [1,0,0,0,0,0|1,0,2]=4 14 B9R0.46 COC(=O)CCCCCO 6266AB [1,0,0,0,0,0|3,0,0]=4 15 B11R0.4 CCCCCCCC(=O)CCC 5904AF [0,1,0,0,0,0|1,0,0]=2 16 B11R0.4 CCCCCCOC(=O)CC#N 8925AJ [0,1,0,0,0,0|1,0,1]=3 17 B11R0.4 CCCCC\C=C\C(=O)OCC 7895AL [0,1,0,0,0,0|2,0,0]=3 18 B11R0.4 CCOC(=O)CCCCCCN X0080 [0,1,0,0,0,0|2,0,0]=3 19 B11R0.81 CCCCCCC(=O)CCCC 6822AL [0,1,0,0,0,0|1,0,0]=2 20 B11R0.81 CCCCCCC(O)CCCC 6821AL [0,1,0,0,0,0|1,0,2]=4 21 B11R0.142 CCCCCCC(=O)N(C)OC 1076AA [0,1,0,0,0,0|3,0,0]=4 22 B11R0.155 CCCCCC(Br)C(=O)OCC 9678AJ [0,1,0,0,0,0|2,0,0]=3 23 B11R0.155 CC\C=C(/C)C(O)CCCCC 2668AC [0,1,0,0,0,0|2,0,1]=4 24 B11R0.176 CCNC(=O)NCCCN(C)C 0343AE [0,1,0,0,0,0|3,0,0]=4 25 B11R1.16 CCOC(=O)C1CCOCC1 6787AC [0,0,0,1,0,0|3,0,0]=4 26 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 4486AA [0,0,0,1,0,0|3,0,0]=4 27 B11R1.16 NCCC(=O)N1CCOCC1 5584AD [0,0,0,1,0,0|3,0,0]=4 28 B11R1.16 NCCC(=O)N1CCOCC1 8577AE [0,0,0,1,0,0|3,0,0]=4 29 B11R1.30 CCOC(=O)CC1CCCC1 9596AA [0,0,0,1,0,0|2,0,0]=3 30 B11R1.30 CCOC(=O)CC1CCCO1 9524AF [0,0,0,1,0,0|3,0,0]=4 31 B11R1.30 CCOC(=O)CN1CCCC1 7520AD [0,0,0,1,0,0|3,0,0]=4 32 B11R1.180 CCCCCC1=CCCC1=O 5777AL [0,0,0,1,0,0|1,0,1]=3 33 B11R1.180 CCCCCC1CCCC1=O 6603AB [0,0,0,1,0,0|1,0,0]=2 34 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N 6973AA [0,0,0,1,0,0|3,0,0]=4 35 B8R0.1 CCCCC(O)CCC 7995AF [2,0,0,0,0,0|0,0,2]=4 36 B8R0.1 CCCOC(=O)CCC 9026AJ [2,0,0,0,0,0|0,0,0]=2 37 B8R0.1 CCOC(=O)CCCI 1537AC [2,0,0,0,0,0|2,0,0]=4 38 B8R0.1 CCOC(=O)CCNC 7579AD [2,0,0,0,0,0|2,0,0]=4 39 B8R0.4 CCCCCCCCF V6056 [2,0,0,0,0,0|1,0,1]=4 40 B8R0.4 CCCCCOCCO 6511AH [2,0,0,0,0,0|1,0,0]=3 41 B8R0.4 CCCCNCCCC W7485 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.4 CCCCOCCCN P793 [2,0,0,0,0,0|1,0,1]=4 43 B8R0.4 CCCC\C=C/CCO 7442AL [2,0,0,0,0,0|1,0,1]=4 44 B8R0.4 CC\C=C/CCCCO 7454AL [2,0,0,0,0,0|1,0,1]=4 45 B8R0.6 CCCCCC(=O)CC 6144AL [2,0,0,0,0,0|0,0,0]=2 46 B8R0.6 CCCCCC(=O)NN 8224AD [2,0,0,0,0,0|2,0,0]=4 47 B8R0.6 CCCCNC(=O)CC 8516AL [2,0,0,0,0,0|1,0,0]=3 48 B8R0.6 COC(=O)CCCCN 3063AB [2,0,0,0,0,0|2,0,0]=4 49 B8R0.6 COCCOC(=O)CCl 7354AL [2,0,0,0,0,0|2,0,0]=4 50 B8R0.7 C=CCCCOC(C)=O 6663AL [2,0,0,0,0,0|0,0,2]=4 51 B8R0.7 CC(=O)NCCCCN 8335AL [2,0,0,0,0,0|2,0,0]=4 52 B8R0.7 CC(=O)OCCCCBr 7492AF [2,0,0,0,0,0|1,0,0]=3 53 B8R0.7 CCCCCCC(=O)[O-] 7832AL [2,0,0,0,0,0|2,0,0]=4 54 B8R0.7 CCCC\C=C\C(C)=O 6146AL [2,0,0,0,0,0|1,0,1]=4 55 B10R0.3 CCCC(=O)CCCC(=O)O 1674AE [1,1,0,0,0,0|1,0,1]=4 56 B10R0.19 CCCCC(=O)C(=O)OCC W7093 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.19 CCCCC(O)C(C)CCC V2239 [1,1,0,0,0,0|1,0,1]=4 58 B10R0.19 CCOC(=O)C(N)CCSC 6640AH [1,1,0,0,0,0|2,0,0]=4 59 B10R0.19 CCOC(=O)[C@@H](N)CCSC E630 [1,1,0,0,0,0|2,0,0]=4 60 B10R0.19 CCOC(=O)[C@H](N)CCSC V7607 [1,1,0,0,0,0|2,0,0]=4 61 B10R0.83 CCCCCC(=O)N(C)OC 9830AB [1,1,0,0,0,0|2,0,0]=4 62 B10R0.91 CCCCCC(=O)OCCC 9028AJ [1,1,0,0,0,0|0,0,0]=2 63 B10R0.91 CCCCCC(O)CCCC 6764AL [1,1,0,0,0,0|0,0,2]=4 64 B10R0.4 CCCCCCCCC(C)C Z5044 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.4 CCCCCCCCC(C)O 5773AF [1,1,0,0,0,0|1,0,1]=4 66 B10R0.71 CCCCCCCCCCC U203 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.71 CCCCCNCCCCC 7593AL [1,1,0,0,0,0|1,0,1]=4 68 B10R0.71 CCCCCSCCCCC 5783AF [1,1,0,0,0,0|0,1,1]=4 69 B10R0.71 CCCCC\C=C/CCCO 7446AL [1,1,0,0,0,0|1,0,0]=3 70 B10R0.71 CCCC\C=C\CCCCO 9236AL [1,1,0,0,0,0|2,0,0]=4 71 B10R0.74 CCCCCCCC(O)CC 6031AL [1,1,0,0,0,0|1,0,1]=4 72 B12R0.206 CCCCCCCC(=O)CCCC 6040AF [0,2,0,0,0,0|1,0,0]=3 73 B12R0.206 CC\C=C/CCOC(=O)CCCC 8688AL [0,2,0,0,0,0|0,0,1]=3 74 B12R0.285 CCCC(=O)O[Ca]OC(=O)CCC 7933AF [0,2,0,0,0,0|1,0,1]=4 75 B12R0.95 CCCOC(=O)NCCCN(C)C S238 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.10 CCCC1CCCC(=O)O1 R377 [1,0,0,1,0,0|0,0,0]=2 77 B10R1.11 CCNC(=O)[C@@H]1CCCN1 V6753 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.11 CCOC(=O)[C@@H]1CCCN1 V5249 [1,0,0,1,0,0|2,0,0]=4 79 B10R1.11 CNCC(=O)N1CCCC1 4377AD [1,0,0,1,0,0|2,0,0]=4 80 B10R1.11 NCCC(=O)N1CCCC1 7856AE [1,0,0,1,0,0|2,0,0]=4 81 B10R1.78 O=C1CCCCCCCC1 3914AB [1,0,0,1,0,0|0,0,0]=2 82 B10R1.137 CCOC(=O)CC1CCC1 4959AB [1,0,0,1,0,0|1,0,0]=3 83 B10R1.197 CCC1CCNC(=O)CC1 0938AE [1,0,0,1,0,0|1,0,0]=3 84 B10R1.377 CCC[N+]1(C)CCCCC1 4900AL [1,0,0,1,0,0|2,0,0]=4 85 B10R1.1 CCCN1CCC(=O)CC1 V0038 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.1 CCOC1CCC(=O)CC1 7957AD [1,0,0,1,0,0|2,0,0]=4 87 B10R1.15 CCC(=O)C1CCCCC1 2177AA [1,0,0,1,0,0|1,0,0]=3 88 B10R1.15 COC(=O)N1CCCCC1 3586AL [1,0,0,1,0,0|2,0,0]=4 89 B10R1.15 NCC(=O)N1CCCCC1 5310AE [1,0,0,1,0,0|2,0,0]=4 90 B10R1.15 O=C(CBr)C1CCCCC1 W6993 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.27 NCC(=O)NC1CCCC1 0665AD [1,0,0,1,0,0|2,0,0]=4 92 B12R1.28 CCCCOC1=CC(=O)CCC1 5295AD [0,1,0,1,0,0|1,0,1]=4 93 B12R1.32 CCOC(=O)C=C1CCCCC1 7799AA [0,1,0,1,0,0|2,0,0]=4 94 B12R1.32 CCOC(=O)CC1CCCNC1 4120AJ [0,1,0,1,0,0|2,0,0]=4 95 B12R1.32 CCOC(=O)CC1CCNCC1 W3689 [0,1,0,1,0,0|2,0,0]=4 96 B12R1.32 CCOC(=O)CC1CCNCC1 W7206 [0,1,0,1,0,0|2,0,0]=4 97 B12R1.32 CCOC(=O)CC1CCOCC1 X8652 [0,1,0,1,0,0|2,0,0]=4 98 B12R1.32 CCOC(=O)NC1CCNCC1 7406AE [0,1,0,1,0,0|2,0,0]=4 99 B12R1.308 CCOC(=O)C1CCCCC1O 4152AB [0,1,0,1,0,0|2,0,0]=4 100 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O W7351 [0,1,0,1,0,0|2,0,0]=4 101 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 3760AF [0,1,0,1,0,0|2,0,0]=4 102 B12R1.316 CCOC(=O)[C@H]1CCCN1CC 4133AL [0,1,0,1,0,0|2,0,0]=4 103 B12R1.17 CC1CCCN(C(=O)CCCl)C1 1103AE [0,1,0,1,0,0|2,0,0]=4 104 B12R1.17 CCOC(=O)C1CCCC(O)C1 6057AC [0,1,0,1,0,0|2,0,0]=4 105 B12R1.1595 CCOC(=O)C1(N)CCCCC1 4007AJ [0,1,0,1,0,0|2,0,0]=4 106 B12R1.1595 CCOC(=O)C1(N)CCCCC1 4008AJ [0,1,0,1,0,0|2,0,0]=4 107 B12R1.1595 CCOC(=O)C1(O)CCCCC1 2211AA [0,1,0,1,0,0|2,0,0]=4 108 B12R1.16 CC1CCN(C(=O)CCCl)CC1 1098AE [0,1,0,1,0,0|2,0,0]=4 109 B12R1.16 CCCC(=O)N1CCC(=O)CC1 4498AF [0,1,0,1,0,0|1,0,1]=4 110 B12R1.16 CCOC(=O)N1CCC(Cl)CC1 7862AL [0,1,0,1,0,0|2,0,0]=4 111 B12R1.16 CCOC(=O)[C@H]1CC[C@@H](O)CC1 1790AC [0,1,0,1,0,0|2,0,0]=4 112 B12R2.10 O=C1CCCC1C2CCCC2 5594AL [0,0,0,2,0,0|1,0,0]=3 113 B12R2.2075 O=C(C1CC1)N2CCNCC2 7594AC [0,0,0,2,0,0|2,0,0]=4